(5Z)-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
Basic information
- CAS
5909-30-8- Standard SMILES
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1- InChIKey
YTGJQPQLOWBTCT-BKUYFWCQSA-N- Molecular formula
- C24H20N4O5
- Average molar mass
- 444.4 g/mol
- Monoisotopic mass
- 444.14336975
Names & identifiers
- Preferred name
- (5Z)-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
- IUPAC
- (5Z)-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
5909-30-85-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylene}-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrioneAC1NSOJP(5Z)-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trioneDTXSID60416683SMSF0009536AKOS000600391CB00757ST50242278(5Z)-5-{[2,5-DIMETHYL-1-(4-NITROPHENYL)-1H-PYRROL-3-YL]METHYLIDENE}-1-(4-METHYLPHENYL)-1,3-DIAZINANE-2,4,6-TRIONE5-{[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylene}-1-(4-methylphenyl)-1, 3-dihydropyrimidine-2,4,6-trione
Database identifiers
- CAS
5909-30-8- PubChem CID
- 5337322
- DTXSID
DTXSID60416683
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 836
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